Adiabatic connection at negative coupling strengths

نویسندگان

  • Michael Seidl
  • Paola Gori-Giorgi
چکیده

Michael Seidl1 and Paola Gori-Giorgi2,3 1Institute of Theoretical Physics, University of Regensburg, D-93040 Regensburg, Germany 2Laboratoire de Chimie Théorique, CNRS, Université Pierre et Marie Curie, 4 Place Jussieu, F-75252 Paris, France 3Theoretische Chemie, Vrije Universiteit Amsterdam, De Boelelaan 1083, NL-1081HV Amsterdam, The Netherlands (Received 21 October 2009; published 27 January 2010)

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Accurate adiabatic connection curve beyond the physical interaction strength

In order to better approximate and understand the exchange-correlation functional in density functional theory, the adiabatic connection curve is accurately calculated beyond the physical interaction strength using a simulated scaling method. This is done for Hooke’s atom, two interacting electrons in a harmonic well potential. Extrapolation of the accurate curve to the infinite-coupling limit ...

متن کامل

Adiabatic pumping through interacting quantum dots.

We present a general formalism to study adiabatic pumping through interacting quantum dots. We derive a formula that relates the pumped charge to the local, instantaneous Green's function of the dot. This formula is then applied to the infinite-U Anderson model for both weak and strong tunnel-coupling strengths.

متن کامل

A Quantum Monte Carlo Approach to the Adiabatic Connection Method

We present a new method for realizing the adiabatic connection approach in density functional theory, which is based on combining accurate variational quantum Monte Carlo calculations with a constrained optimization of the ground state many-body wavefunction for different values of the Coulomb coupling constant. We use the method to study an electron gas in the presence of a cosine-wave potenti...

متن کامل

Pulse-coupled BZ oscillators with unequal coupling strengths.

Coupled chemical oscillators are usually studied with symmetric coupling, either between identical oscillators or between oscillators whose frequencies differ. Asymmetric connectivity is important in neuroscience, where synaptic strength inequality in neural networks commonly occurs. While the properties of the individual oscillators in some coupled chemical systems may be readily changed, enfo...

متن کامل

Relating normal vibrational modes to local vibrational modes with the help of an adiabatic connection scheme.

Information on the electronic structure of a molecule and its chemical bonds is encoded in the molecular normal vibrational modes. However, normal vibrational modes result from a coupling of local vibrational modes, which means that only the latter can provide detailed insight into bonding and other structural features. In this work, it is proven that the adiabatic internal coordinate vibration...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

عنوان ژورنال:

دوره   شماره 

صفحات  -

تاریخ انتشار 2010